CID 57048670

4-chloro-5-(difluoromethoxy)benzene-1,2-diamine

Structural Information

Molecular Formula
C7H7ClF2N2O
SMILES
C1=C(C(=CC(=C1OC(F)F)Cl)N)N
InChI
InChI=1S/C7H7ClF2N2O/c8-3-1-4(11)5(12)2-6(3)13-7(9)10/h1-2,7H,11-12H2
InChIKey
UOQPWKIDKPDUTN-UHFFFAOYSA-N
Compound name
4-chloro-5-(difluoromethoxy)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.0215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.028776 137.7
[M+Na]+ 231.010718 147.6
[M-H]- 207.014224 138.5
[M+NH4]+ 226.055323 156.9
[M+K]+ 246.984658 143.5
[M+H-H2O]+ 191.018760 131.3
[M+HCOO]- 253.019701 156.3
[M+CH3COO]- 267.035351 189.5
[M+Na-2H]- 228.996166 140.3
[M]+ 208.02095142 135.1
[M]- 208.02204858 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe